2-({2-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-5,6-dimethyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-({2-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-5,6-dimethyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one
2-({2-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-5,6-dimethyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 3993-2549 |
| Compound Name: | 2-({2-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-5,6-dimethyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 498.06 |
| Molecular Formula: | C25 H24 Cl N3 O2 S2 |
| Smiles: | Cc1c2C(N(CC=C)C(=Nc2sc1C)SCC(c1cc(C)n(c2ccc(cc2)[Cl])c1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6991 |
| logD: | 5.6991 |
| logSw: | -6.1085 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.835 |
| InChI Key: | MHJZAOGCSGSSNV-UHFFFAOYSA-N |